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Anisotropic Elasticity

27-750
Texture, Microstructure & Anisotropy
A.D. Rollet

Last revised: 2nd Apr. ‘17


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Bibliography
• R.E. Newnham, Properties of Materials: Anisotropy, Symmetry, Structure,
Oxford University Press, 2004, 620.112 N55P.
• Nye, J. F. (1957). Physical Properties of Crystals. Oxford, Clarendon Press.
• Kocks, U. F., C. Tomé and R. Wenk (1998). Texture and Anisotropy, Cambridge
University Press, Cambridge, UK. Chapter 7.
• T. Courtney, Mechanical Behavior of Materials, McGraw-Hill, 0-07-013265-8,
620.11292 C86M.
• Reid, C. N. (1973). Deformation Geometry for Materials Scientists. Oxford, UK,
Pergamon.
• Newey, C. and G. Weaver (1991). Materials Principles and Practice. Oxford,
England, Buterworth-Heinemann.

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Notation
F Stimulus (field) a transformation matrix
R Response W work done (energy)
P Property dW work increment
j electric current I identity matrix
E electric field O symmetry operator (matrix)
D electric polarization Y Young’s modulus
e Strain (also, permutation d Kronecker delta
tensor) e axis (unit) vector
s Stress (or conductivity) T tensor
r Resistivity  direction cosine
d piezoelectric tensor
C elastic stiffness
S elastic compliance

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Objective
• The objective of this lecture is to provide a mathematical framework
for the description of properties, especially when they vary with
direction.
• A basic property that occurs in almost applications is elasticity.
Although elastic response is linear for all practical purposes, it is often
anisotropic (composites, textured polycrystals etc.).
• Why do we care about elastic anisotropy? In composites, especially
fibre composites, it is easy to design in substantial anisotropy by
varying the lay-up of the fibres. See, for example:
http://www.jwave.vt.edu/crcd/kriz/lectures/Geom_3.html
• Geologists are very familiar with elastic anisotropy and exploit it for
understanding seismic results; see, e.g.,
https://en.wikipedia.org/wiki/Seismic_anisotropy .

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In Class Questions
1. Why is plastic yielding a non-linear property, in contrast to elastic
deformation?
2. What is the definition of a tensor?
3. Why is stress is 2nd-rank tensor?
4. Why is elastic stiffness a 4th-rank tensor?
5. What is “matrix notation” (in the context of elasticity)?
6. What are the relationships between tensor and matrix coefficients for
stress? Strain? Stiffness? Compliance?
7. Why do we need factors of 2 and 4 in some of these conversion factors?
8. How do we use crystal symmetry to decrease the number of coefficients
needed to describe stiffness and compliance?
9. How many independent coefficients are needed for stiffness (and
compliance) in cubic crystals? In isotropic materials?
10. How do we express the directional dependence of Young’s modulus?
11. What is Zener’s anisotropy factor?

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Q&A
1. How do we write the relationship between (tensor) stress and (tensor) strain? s=C:e. How about the other way
around? e=S:s. What are “stiffness” and “compliance” in this context? The stiffness tensor is the collection of
coefficients that connect all the different stress coefficients/components to all the different strain
coefficients/components. How do we express this in Voigt or vector-matrix notation? The only difference is that the
stress and strain are vectors and the stiffness and compliance are matrices. If indices are used then stress and strain
each have two indices and the stiffness and compliance each have four.
2. What are the relationships between the coefficients of the (4th rank) stiffness tensor and the stiffness matrix (6x6)? See
the notes for details but, e.g., {11,22,33}tensor correspond to {1,2,3}matrix. E.g. C12(matrix)=C1122(tensor). What about the
compliance tensor and matrix? Here, more care is required because certain coefficients have factors of 2 or 4.
3. What does work conjugacy mean? The energy stored in a body when elastic strains and stresses are present is
calculated as the product of the stress and strain, which means that the work done makes the strain and stress
conjugate (joined) variables. What does this mean for the relationships between (2nd rank) tensor stress and its vector
form? What about strain? Answering these two together, we note that work conjugacy means that whatever notation
is used to express stress and strain, the product of the two must be the same because of conservation of energy. This
then explains why factors of two are used in the conversion to/from matrix to tensor representations of the shear
components of strain (but not the normal strain components). These factors of two could have been applied to stress,
but by convention we do this for strain.
4. How do we write the tensor transformation rule in vector-matrix notation? See the notes for details but the basic idea
is that a 6x6 matrix (that can be applied to a stiffness or compliance tensor) is formed from the coefficients of the
transformation matrix.
5. How do we apply crystal symmetry to elastic moduli (e.g. the stiffness tensor)? We apply a symmetry operator to the
(stiffness) tensor and set the new and old versions of the tensor equal to each other, coefficient by coefficient. What
net effect does it have on the stiffness matrix for cubic materials? Applying the cubic crystal symmetry to the stiffness
tensor reduces most of the coefficients to zero and there are only 3 independent coefficients that remain.

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Q&A, part 2
6. How do we convert from stiffness to compliance (and vice versa)? The detailed mathematics is out of
scope for this course. It is sufficient to know that the two tensors combine to form a 4th rank identity
tensor, from which one can obtain algebraic relationships as given in the notes. Be aware that these
formulae depend on the crystal symmetry (as do the compliance & stiffness tensors themselves).
7. How do we apply symmetry (and transformations of axes in general) to the property of anisotropic
elasticity? There are two answers. The first answer is that one can apply the tensor transformation
rule, just as explained in previous lectures. Generate the transformation matrix with any the methods
described (i.e. dot products between old and new axes, or using the combination of axis and angle).
Then write out the transformation with 4 copies of the matrix taking care to specify the indices
correctly. The alternative answer is to generate a 6x6 transformation matrix that can be used with
vector-matrix (Voigt) notation for either the stress, strain (6x1) vectors or the modulus (6x6) matrix.
8. How do we show that symmetry reduces the number of independent coefficients in an anisotropic
elasticity modulus tensor? Given a symmetry matrix, one proceeds just as in the previous examples
i.e. apply symmetry and then equate individual coefficients to find the cases of either zero or
equality(between different coefficients).
9. How do we calculate the (anisotropic) elastic (Young’s) modulus in an arbitrary direction? This looks
ahead to the next lecture. The idea is to realize that a tensile test is such that there is only one non-
zero coefficient in the stress tensor (or vector); the strain tensor, however, has to have more than one
non-zero coefficient (because of the Poisson effect). Therefore one uses the relationship that strain =
compliance x stress. By rotating the compliance tensor such that one axis (usually x) is parallel to the
desired direction, one obtains the Young’s modulus in that direction as 1/S11.

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Anisotropy: Practical Applications


• The practical applications of anisotropy of
composites, especially fiber-reinforced
composites are numerous.
• The stiffness of fiber composites varies
tremendously with direction. Torsional rigidity is
very important in car bodies, boats, aeroplanes
etc.
• Even in monolithic polymers (e.g. drawn
polyethylene) there exists large anisotropy
because of the alignment of the long-chain
molecules.
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Application example: quartz oscillators


• Piezoelectric quartz crystals are commonly used for frequency control
in watches and clocks. Despite having small values of the
piezoelectric coefficients, quartz has positive aspects of low losses
and the availability of orientations with negligible temperature
sensitivity. The property of piezoelectricity relates strain to electric
field, or polarization to stress.
• eij = dijkEk
• PZT, lead zirconium titanate PbZr1-xTixO3, is another commonly used
piezoelectric material.

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10 Examinable

Piezoelectric Devices
• The property of piezoelectricity relates strain to electric field, or
polarization to stress.
eij = dijkEk
• PZT, lead zirconium titanate PbZr1-xTixO3, is another commonly
used piezoelectric material.
Note: Newnham consistently
uses vector-matrix notation,
rather than tensor notation. We
will explain how this works later
on.

[Newnham]
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Piezoelectric Crystals
• How is it that crystals can be piezoelectric?
• The answer is that the bonding must be ionic to some
degree (i.e. there is a net charge on the different
elements) and the arrangement of the atoms must be
non-centrosymmetric.
• PZT is a standard piezoelectric material. It has Pb atoms
at the cell corners (a~4Å), O on face centers, and a Ti or
Zr atom near the body center. Below a certain
temperature (Curie T), the cell transforms from cubic
(high T) to tetragonal (low T). Applying stress distorts
the cell, which changes the electric displacement in
different ways (see figure).
• Although we can understand the effect at the single
crystal level, real devices (e.g. sonar transducers) are
polycrystalline. The operation is much complicated than
discussed here, and involves “poling” to maximize the
response, which in turns involves motion of domain
walls.

[Newnham]
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Mathematical Descriptions
• Mathematical descriptions of properties are available.
• Mathematics, or a type of mathematics provides a
quantitative framework. It is always necessary, however,
to make a correspondence between mathematical
variables and physical quantities.
• In group theory one might say that there is a set of
mathematical operations & parameters, and a set of
physical quantities and processes: if the mathematics is a
good description, then the two sets are isomorphous.
• This lecture makes extensive use of tensors. A tensor is a
quantity that can be transformed from one set of axes to
another via the tensor transformation rule (next slide).

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Tensor: definition, contd.


• In order for a quantity to “qualify” as a tensor it has to obey the
axis transformation rule, as discussed in the previous slides.
• The transformation rule defines relationships between
transformed and untransformed tensors of various ranks.
• It says that any tensor quantity can be transformed from one
reference frame to another; this transformation of axes is
sometimes called a passive rotation.

Vector: V’i = aijVj


2nd rank T’ij = aikailTkl
3rd rank T’ijk = ailaimaknTlmn
4th rank T’ijkl = aimainakoalpTmnop
This rule is a critical piece of information, which
you must know how to use.
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Non-Linear properties, example


• Another important example of non-linear anisotropic properties is
plasticity, i.e. the irreversible deformation of solids.
• A typical description of the response at plastic yield
(what happens when you load a material to its yield stress)
is elastic-perfectly plastic. In other
words, the material responds
elastically until the yield stress is
reached, at which point the stress
remains constant (strain rate
unlimited).

• A more realistic description is a power-law with a


n
large exponent, n~50. The stress is scaled by the crss, æ s ö
and be expressed as either shear stress- e˙ = ç ÷
shear strain rate [graph], or tensile stress-tensile strain è s yield ø
[equation].
[Kocks]
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Linear properties
• Certain properties, such as elasticity in most
cases, are linear which means that we can
simplify even further to obtain

R = R0 + PF
or if R0 = 0, stiffness
R = PF.

e.g. elasticity: s = C e

In tension, C  Young’s modulus, Y or E.

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Elasticity
• Elasticity: example of a property that requires tensors to
describe it fully.
• Even in cubic metals, a crystal is quite anisotropic. The
[111] in many cubic metals is stiffer than the [100]
direction.
• Even in cubic materials, 3 numbers/coefficients/moduli
are required to describe elastic properties; isotropic
materials only require 2.
• Familiarity with Miller indices, suffix notation, Einstein
convention, Kronecker delta, permutation tensor, and
tensors is assumed.

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Elastic Anisotropy: 1
• First we restate the linear elastic relations for the
properties Compliance, writen S, and Stiffness,
writen C (admitedly not very logical choice of
notation), which connect stress, s, and strain, e.
We write it first in vector-tensor notation with “:”
signifying inner product (i.e. add up terms that
have a common suffix or index in them):
s = C:e
e = S:s
• In component form (with suffixes),
sij = Cijklekl
eij = Sijklskl
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Elastic Anisotropy: 2
The definitions of the stress and strain tensors mean
that they are both symmetric (second rank)
tensors. Therefore we can see that
e23 = S2311s11
e32 = S3211s11 = e23
which means that,
S2311 = S3211
and in general,
Sijkl = Sjikl
We will see later on that this reduces considerably
the number of different coefficients needed.
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Stiffness in sample coords.


• Consider how to express the elastic properties of a single
crystal in the sample coordinates. In this case we need to
rotate the (4th rank) tensor stiffness from crystal
coordinates to sample coordinates using the orientation
(matrix), a :
cijkl' = aimajnakoalpcmnop
• Note how the transformation matrix appears four times
because we are transforming a 4th rank tensor!
• The axis transformation matrix, a, is sometimes also
writen as l, also as the orientation matrix g.

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Young’s modulus from
compliance
• Young's modulus as a function of direction can be
obtained from the compliance tensor as:
E=1/s'1111
Using compliances and a stress boundary
condition (only s110) is most straightforward. To
obtain s'1111, we simply apply the same
transformation rule,

s'ijkl = aim ajn ako alpsmnop

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“Voigt” or “matrix” notation


• It is useful to re-express the three quantities
involved in a simpler format. The stress and strain
tensors are vectorized, i.e. converted into a 1x6
notation and the elastic tensors are reduced to
6x6 matrices.
æ s1 1 s 1 2 s 1 3ö æ s 1 s 6 s 5ö
ç s 2 1 s 2 2 s 2 3÷ ¬¾®ç s 6 s 2 s 4 ÷
ç ÷ ç ÷
è s 3 1 s 3 2 s 3 3ø ès 5 s 4 s 3ø
¬¾®( s 1 ,s 2 , s 3 , s 4 ,s 5 ,s 6 )

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“matrix notation”, contd.


• Similarly for strain:
æ e1 1 e1 2 e1 3ö æ e1 1
2
e6 1
2
e5 ö
ç e 2 1 e 2 2 e 2 3÷ ¬¾®ç 1 e 6 e2 1
e4 ÷
ç ÷ ç 21 2
÷
è e 3 1 e 3 2 e 3 3ø è 2 e5 e e3 ø
1
2 4

¬¾®( e 1 ,e 2 , e 3 , e 4 , e 5 , e 6 )

The particular definition of shear strain used in the


reduced notation happens to correspond to that used in
mechanical engineering such that e4 is the change in angle
between direction 2 and direction 3 due to deformation.

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Work conjugacy, matrix inversion


• The more important consideration is that the
reason for the factors of two is so that work
conjugacy is maintained.

dW = s:de = sij : deij = sk • dek

Also we can combine the expressions


s = Ce and e = Ss to give:
s = CSs, which shows:
I = CS, or, C = S-1

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Tensor conversions: stiffness


• Lastly we need a way to convert the tensor
coefficients of stiffness and compliance to the
matrix coefficients. For stiffness, it is very simple
because one substitutes values according to the
following table, such that [vector-matrix] C11
= C1111 [tensor] for example.

Tensor 11 22 33 23 32 13 31 12 21
Matrix 1 2 3 4 4 5 5 6 6

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Stiffness Matrix
é C11 C12 C13 C14 C15 C16 ù
ê ú
ê C12 C22 C23 C24 C25 C26 ú
ê ú
C13 C23 C33 C34 C35 C36 ú
C =ê
ê C14 C24 C34 C44 C45 C46 ú
ê ú
ê C15 C25 C35 C45 C55 C56 ú
ê C16 C26 C36 C46 C56 C66 úû
ë
Vector-matrix notation (two indices for the moduli, one index for stress or
strain); note that this matrix is symmetric, therefore there are only 21
independent coefficients, even for triclinic crystals (see later slides).
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Axis Transformations
• It is still possible to perform axis transformations, as
allowed for by the Tensor Rule. The coefficients can be
combined [Newnham] together into a 6 by 6 matrix that
can be used for 2nd rank tensors such as stress and strain,
below.
• Stress (in vector notation)
transforms as:
X’i = ij Xj
• Strain (in vector notation)
transforms as:
x’i = (-1ij)T xj
where superscript “T”
signifies transpose of the
matrix.

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Tensor conversions: compliance


• For compliance some factors of two are required
and so the rule becomes:

pSijkl = Smn
p=1 m.AND.n Î[ 1,2, 3]
p= 2 m.XOR.n Î[1, 2, 3]
p= 4 m.AND.nÎ[ 4,5,6 ]

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Relationships between coefficients:


C in terms of S
Some additional useful relations between coefficients for
cubic materials are as follows. Symmetrical relationships
exist for compliances in terms of stiffnesses (next slide).

C11 = (S11+S12)/{(S11-S12)(S11+2S12)}

C12 = -S12/{(S11-S12)(S11+2S12)}

C44 = 1/S44.

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S in terms of C
The relationships for S in terms of C are symmetrical to those
for stiffnesses in terms of compliances (a simple exercise
in algebra).

S11 = (C11+C12)/{(C11-C12)(C11+2C12)}

S12 = -C12/{(C11-C12)(C11+2C12)}

S44 = 1/C44.

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Neumann's Principle

• A fundamental natural law: Neumann's Principle:


the symmetry elements of any physical property of
a crystal must include the symmetry elements of
the point group of the crystal. The property may
have additional symmetry elements to those of
the crystal (point group) symmetry. There are 32
crystal classes for the point group symmetry.
• F.E. Neumann 1885.

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Neumann, extended

• If a crystal has a defect structure such as a dislocation


network that is arranged in a non-uniform way then the
symmetry of certain properties may be reduced from the
crystal symmetry. In principle, a finite elastic strain in one
direction decreases the symmetry of a cubic crystal to
tetragonal or less. Therefore the modified version of
Neumann's Principle: the symmetry elements of any
physical property of a crystal must include the symmetry
elements that are common to the point group of the
crystal and the defect structure contained within the
crystal.

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Effect of crystal symmetry


• Consider an active rotation of the crystal, where O is the
symmetry operator. Since the crystal is indistinguishable
(looks the same) after applying the symmetry operator,
the result before, R(1), and the result after, R(2), must be
identical:
(1)
R = PF ï ü
(2) T ï
R = OPO F ý
(1) = (2 ) ï
R ¬ ¾ ® R ïþ
The two results are indistinguishable and therefore
equal. It is essential, however, to express the property
and the operator in the same (crystal) reference frame.
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Symmetry, properties, contd.


• Expressed mathematically, we can rotate, e.g. a second rank property tensor
thus:
P' = OPOT = P , or, in coefficient notation,
P’ij = OikOilPkl

where O is a symmetry operator.


• Since the rotated (property) tensor, P’, must be the same as the original
tensor, P, then we can equate coefficients:
P’ij = Pij
• If we find, for example, that P’21 = -P21,then the only value of P21 that satisfies
this equality is P21 = 0.
• Remember that you must express the property with respect to a particular set
of axes in order to use the coefficient form. In everything related to single
crystals, always use the crystal axes as the reference frame!
• Homework question: based on cubic crystal symmetry, work out why a second
rank tensor property can only have one independent coefficient.

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Effect of symmetry on stiffness matrix


• Why do we need to look at the effect of symmetry? For a
cubic material, only 3 independent coefficients are needed
as opposed to the 81 coefficients in a 4th rank tensor. The
reason for this is the symmetry of the material.
• What does symmetry mean? Fundamentally, if you pick
up a crystal, rotate [mirror] it and put it back down, then a
symmetry operation [rotation, mirror] is such that you
cannot tell that anything happened.
• From a mathematical point of view, this means that the
property (its coefficients) does not change. For example,
if the symmetry operator changes the sign of a coefficient,
then it must be equal to zero.

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2nd Rank Tensor Properties & Symmetry

• The table from Nye shows the number of independent, non-zero coefficients allowed in
a 2nd rank tensor according to the crystal symmetry class.
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36 Examinable

Effect of symmetry on stiffness matrix


• Following Reid, p.66 et seq.:
Apply a -90° rotation about the crystal-z axis (axis 3)*,
C’ijkl = OimOjnOkoOlpCmnop:
æ 0 1 0ö
C’ = C ç ÷
z
O4 = ç -1 0 0÷
é C22 C21 C23 C25 -C24 -C26 ù ç ÷
ê ú è 0 0 1ø
ê C21 C11 C13 C15 -C14 -C16 ú
ê ú *Reid describes
C23 C13 C33 C35 -C34 -C36
C¢ = ê ú this as +90°, but
-90° reproduces
ê C25 C15 C35 C55 -C54 -C56 ú his result
ê ú (because he
ê -C24 -C14 -C34 -C54 C44 C46 ú apparently
ê -C26 -C16 -C36 -C56 C46 C66 ú considers
ë û positive to be
clockwise).

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37 Examinable

Effect of symmetry, 2
• Using P’ = P, we can equate all the coefficients in
the 6x6 matrix and find that:
C11=C22, C13=C23, C44=C35, C16=-C26,
C14=C15 = C24 = C25 = C34 = C35 = C36 = C45 = C46 = C56
= 0.
éC11 C12 C13 0 0 C16 ù
ê ú
êC12 C11 C13 0 0 -C16 ú
êC13 C13 C33 0 0 0 ú
C¢ = ê ú
ê0 0 0 C44 0 0 ú
ê0 0 0 0 C44 C46 ú
ê ú
ëC16 -C16 0 0 C46 C66 û

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Effect of symmetry, 3
• Thus by repeated applications of the symmetry
operators, one can demonstrate (for cubic crystal
symmetry) that one can reduce the 81 coefficients
down to only 3 independent quantities. These
become two in the case of isotropy.

éC11 C12 C12 0 0 0 ù


ê ú
êC12 C11 C12 0 0 0 ú
ê ú
êC12 C12 C11 0 0 0 ú
ê 0 0 0 C44 0 0 úú
ê
ê 0 0 0 0 C44 0 ú
ê ú
êë 0 0 0 0 0 C44 úû
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Cubic crystals: anisotropy factor


• If one applies the symmetry elements of the
cubic system, it turns out that only three
independent coefficients remain: C11, C12 and
C44, (similar set for compliance). From these
three, a useful combination of the first two is

C' = (C11 - C12)/2

• See Nye, Physical Properties of Crystals

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Zener’s anisotropy factor


• C' = (C11 - C12)/2 turns out to be the stiffness associated with a
shear in a <110> direction on a plane. In certain martensitic
transformations, this modulus can approach zero which
corresponds to a structural instability.
• Zener (Physics, Carnegie Tech. Inst.) proposed a measure of
elastic anisotropy based on the ratio C44/C'. This turns out to
be a useful criterion for identifying materials that are elastically
anisotropic, i.e., via the extent to which C44/C' varies from
unity.
• Note that this provides a way to convert an anisotropic elastic
stiffness into an isotropic one. One can, e.g., adjust C12 until the
Zener ratio=1. Some care is required, however, because one
might want to match some average Young’s modulus, for
example.
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Rotated compliance (matrix)

• Given an orientation aij, we transform the


compliance tensor, using cubic point group
symmetry, and find that:

(
S1¢ 1 = S1 1 a141 + a142 + a143 )
+
2 2
(
2S1 2 a1 2a1 3 +
2 2
a1 1a1 2 +
2 2
a1 1a1 3 )
+ (
2 2
S4 4 a1 2a1 3 +
2 2
a1 1a1 2 +
2 2
a1 1a1 3 )

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42

Rotated compliance (matrix)


• This can be further simplified with the aid of the standard
relations between the direction cosines, aikajk = 1 for i=j;
aikajk = 0 for ij, (aikajk = dij) to read as follows.
s11¢ = s11 -
æ s44 ö 2 2
2ç s11 - s12 - ÷{ 1  2 +  2 3 +  31 }
2 2 2 2

è 2ø
• By definition, the Young’s modulus in any direction is given
by the reciprocal of the compliance, E = 1/S’11.

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43

Anisotropy in cubic materials


• Thus the second term on the RHS is zero for <100>
directions and, for C44/C'>1, a maximum in <111>
directions (conversely
a minimum for C44/C'<1). Material
Cu
C /C'
3.21
E /E
2.87
44 111 100

The following table shows Ni 2.45 2.18


A1 1.22 1.19
that most cubic metals have Fe 2.41 2.15
positive values of Zener's Ta 1.57 1.50
W (2000K) 1.23 1.35
coefficient so that <100> W (R.T.) 1.01 1.01
is soft and <111> is hard, V 0.78 0.72
Nb 0.55 0.57
with the exceptions of V b-CuZn 18.68 8.21
and NaCl. spinel 2.43 2.13
MgO 1.49 1.37
NaC1 0.69 0.74

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44

Stiffness coefficients, cubics

[Courtney]
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45

Anisotropy in terms of moduli


• Another way to write the above equation is to
insert the values for the Young's modulus in the
soft and hard directions, assuming that the <100>
are the most compliant direction(s). (Courtney
uses , b, and g in place of my 1, 2, and 3.) The
advantage of this formula is that moduli in specific
directions can be used directly.

1 1 ì 1 1 ü 2 2
ý(  1  2 +  2  3 +  3 1 )
2 2 2 2
= - 3í -
Euvw E100 î E100 E11 1þ

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46

Example Problem

[Courtney]
Should be E<111>= 18.89

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47

Alternate Vectorization

An alternate vectorization, discussed by Tomé on p287 of the Kocks et al.


textbook, is to use the above set of eigentensors. For both stress and strain,
one can matrix multiply each eigentensor into the stress/strain tensor in turn
and obtain the coefficient of the corresponding stress/strain vector. Work
conjugacy is still satisfied. The first two eigentensors represent shears in the
{110} planes; the next three are simple shears on {110}<110> systems, and the
last (6th) is the hydrostatic component. The same vectorization can be used for
plastic anisotropy, except in this case, the sixth, hydrostatic component is
(generally) ignored.

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48

Summary
• We have covered the following topics:
– Linear properties
– Non-linear properties
– Examples of properties
– Tensors, vectors, scalars, tensor transformation law.
– Elasticity, as example as of higher order property, also
as example as how to apply (crystal) symmetry.

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49

Supplemental Slides
• The following slides contain some useful material
for those who are not familiar with all the detailed
mathematical methods of matrices,
transformation of axes, tensors etc.

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50

Einstein Convention
• The Einstein Convention, or summation rule for
suffixes looks like this:
Ai = Bij Cj
where “i” and “j” both are integer indexes whose
range is {1,2,3}. So, to find each “ith” component
of A on the LHS, we sum up over the repeated
index, “j”, on the RHS:
A1 = B11C1 + B12C2 + B13C3
A2 = B21C1 + B22C2 + B23C3
A3 = B31C1 + B32C2 + B33C3

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51

Matrix Multiplication
• Take each row of the LH matrix in turn and
multiply it into each column of the RH matrix.
• In suffix notation, aij = bikckj

éa + bd + cg ab + be + cm ag + bf + cn ù
ê ú
êd + ed + fg db + ee + fm dg + ef + fn ú
ê ú
ël + md + ng lb + me + nm lg + mf + nn û
éa b c ù é b gù
ê ú ê ú
= êd e f ú ´ êd e fú
ê ú ê ú
ë l m nû ë l m nû
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52

Properties of Rotation Matrix


• The rotation matrix is an orthogonal matrix, meaning that
any row is orthogonal to any other row (the dot products
are zero). In physical terms, each row represents a unit
vector that is the position of the corresponding (new) old
axis in terms of the (old) new axes.
• The same applies to columns: in suffix notation -
aijakj = dik, ajiajk = dik

éa b cù
ê ú ad+be+cf = 0
êd e f ú
ê ú
ë l m nû
bc+ef+mn = 0
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53

Direction Cosines,
contd.
• That the set of direction cosines are not independent is
evident from the following construction:
eˆi¢ × eˆ ¢j = aikajl eˆk × eˆl = aikajldkl = aikajk = dij
Thus, there are six relationships (i takes values from 1 to 3,
and j takes values from 1 to 3) between the nine direction
cosines, and therefore, as stated above, only three are
independent, exactly as expected for a rotation.
• Another way to look at a rotation: combine an axis
(described by a unit vector with two parameters) and a
rotation angle (one more parameter, for a total of 3).

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54

Orthogonal Matrices
• Note that the direction cosines can be arranged
into a 3x3 matrix, L, and therefore the relation
above is equivalent to the expression
T
LL = I
where L T denotes the transpose of L. This
relationship identifies L as an orthogonal matrix,
which has the properties

-1 T
L =L det L = ±1
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55

Relationships
• When both coordinate systems are right-handed,
det(L)=+1 and L is a proper orthogonal matrix. The
orthogonality of L also insures that, in addition to the
relation above, the following holds:
eˆ j = aij eˆi¢
Combining these relations leads to the following inter-
relationships between components of vectors in the two
coordinate systems:

 vi = ajiv¢j , v¢j = ajivi


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56

Transformation Law
• These relations are called the laws of transformation for
the components of vectors. They are a consequence of,
and equivalent to, the parallelogram law for addition of
vectors. That such is the case is evident when one
considers the scalar product expressed in two coordinate
systems:
 
u× v = uivi = aji u¢j akiv¢k =
d jku¢j v¢k = u¢j v¢j = u¢iv¢i

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57

Invariants
Thus, the transformation law as expressed preserves the
lengths and the angles between vectors. Any function of
the components of vectors which remains unchanged
upon changing the coordinate system is called an invariant
of the vectors from which the components are obtained.
 
The derivations illustrate the fact that the scalar product  
u× v
is an invariant of and . Other examples of u v
invariants include the vector product of two vectors and
the triple scalar product of three vectors. The reader
should note that the transformation law for vectors also
applies to the components of points when they are
referred to a common origin.
 

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58

Orthogonality
• A rotation matrix, L, is an orthogonal matrix,
however, because each row is mutually
orthogonal to the other two.

aki akj = dij , aikajk = dij


• Equally, each column is orthogonal to the other
two, which is apparent from the fact that each
row/column contains the direction cosines of the
new/old axes in terms of the old/new axes and we
 are working with [mutually perpendicular]
Cartesian axes.
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59

Anisotropy
• Anisotropy as a word simply means that something varies with direction.
• Anisotropy is from the Greek: aniso = different, varying; tropos = direction.
• Almost all crystalline materials are anisotropic; many materials are engineered
to take advantage of their anisotropy (beer cans, turbine blades, microchips…)
• Older texts use trigonometric functions to describe anisotropy but tensors
offer a general description with which it is much easier to perform
calculations.
• For materials, what we know is that some properties are anisotropic. This
means that several numbers, or coefficients, are needed to describe the
property - one number is not sufficient.
• Elasticity is an important example of a property that, when examined in single
crystals, is often highly anisotropic. In fact, the lower the crystal symmetry,
the greater the anisotropy is likely to be.
• Nomenclature: in general, we need to use tensors to describe fields and
properties. The simplest case of a tensor is a scalar which is all we need for
isotropic properties. The next “level” of tensor is a vector, e.g. electric
current.

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60

Scalars, Vectors, Tensors


• Scalar:= quantity that requires only one number, e.g.
density, mass, specific heat. Equivalent to a zero-rank
tensor.
• Vector:= quantity that has direction as well as
magnitude, e.g. velocity, current, magnetization;
requires 3 numbers or coefficients (in 3D). Equivalent to
a first-rank tensor.
• Tensor:= quantity that requires higher order
descriptions but is the same, no mater what coordinate
system is used to describe it, e.g. stress, strain, elastic
modulus; requires 9 (or more, depending on rank)
numbers or coefficients.

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61

Vector field, response


• If we have a vector response, R, that we can write
in component form, a vector field, F, that we can
also write in component form, and a property, P,
that we can write in matrix form (with nine
coefficients) then the linearity of the property
means that we can write the following (R0 = 0):

Ri = PijFj

• A scalar (e.g. pressure) can be called a zero-rank


tensor.
• A vector (e.g. electric current) is also known as a
first-rank tensor.
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62

Linear anisotropic property


• This means that each component of the response is
linearly related to each component of the field and that
the proportionality constant is the appropriate coefficient
in the matrix. Example:
R1 = P13F3,
which says that the first component of the response is
linearly related to the third field component through the
property coefficient P13.
x3 F3
R1

x1
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63

Example: electrical conductivity


• An example of such a linear anisotropic (second
order tensor, discussed in later slides) property is
the electrical conductivity of a material:

• Field: Electric Field, E


• Response: Current Density, J
• Property: Conductivity, s
• Ji = sij Ej

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64

Anisotropic electrical conductivity


• We can illustrate anisotropy with Nye’s example of
electrical conductivity, s:

Stimulus/ Field: E10, E2=E3=0


Response: j1=s11E1, j2=s21E1, j3=s31E1,

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65

Changing the Coordinate System


• Many different choices are possible for the orthonormal base vectors
and origin of the Cartesian coordinate system. A vector is an example
of an entity which is independent of the choice of coordinate system.
Its direction and magnitude must not change (and are, in fact,
invariants), although its components will change with this choice.
• Why would we want to do something like this? For example, although
the properties are conveniently expressed in a crystal reference frame,
experiments often place the crystals in a non-symmetric position with
respect to an experimental frame. Therefore we need some way of
converting the coefficients of the property into the experimental
frame.
• Changing the coordinate system is also known as axis transformation.

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66

Motivation for Axis Transformation


• One motivation for axis transformations is the need to
solve problems where the specimen shape (and the
stimulus direction) does not align with the crystal axes.
Consider what happens when you apply a force parallel to
the sides of this specimen …
[100]
The direction parallel to the
long edge does not line up with
Applied stress
any simple, low index crystal
direction. Therefore we have to
find a way to transform the
properties that we know for the
material into the frame of the
problem (or vice versa).

[110]
Image of Pt surface from www.cup.uni-muenchen.de/pc/wintterlin/IMGs/pt10p3.jpg
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67

New Axes
• Consider a new orthonormal system consisting of right-
handed base vectors: e ˆ1¢, eˆ¢2 and eˆ¢3
These all have the same origin, o,
associated with e ˆ1¢, eˆ¢2 and eˆ¢3
• The vector v is clearly expressed equally well in either
coordinate system:

 v = vieˆi = v¢ieˆ¢i
Note - same physical vector but different values of the
components.
• We need to find a relationship between the two sets of
components for the vector.
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68

Anisotropy in Composites
• The same methods developed here for describing
the anisotropy of single crystals can be applied to
composites.
• Anisotropy is important in composites, not
because of the intrinsic properties of the
components but because of the arrangement of
the components.
• As an example, consider (a) a uniaxial composite
(e.g. tennis racket handle) and (b) a flat panel
cross-ply composite (e.g. wing surface).

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69

Fiber Symmetry
z

y
x

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70

Fiber Symmetry
• We will use the same matrix notation for stress,
strain, stiffness and compliance as for single
crystals.
• The compliance matrix, s, has 5 independent
coefficients.
é s11 s12 s13 0 0 0 ù
ê ú
ê s12 s11 s13 0 0 0 ú
ê s13 s13 s33 0 0 0 ú
ê ú
ê0 0 0 s44 0 0 ú
ê0 0 0 0 s44 0 ú
ê ú
ë0 0 0 0 0 2( s11 - s12 ) û

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71

Relationships
• For a uniaxial stress along the z (3) direction,
s3 1 æ s zz ö
E3 = = ç= ÷
e 3 s33 è e zz ø
• This stress causes strain in the transverse plane:
e11 = e22 = s12s33. Therefore we can calculate
 ratio as:
Poisson’s
e1 s13 æ exx ö
n13 = = ç= ÷
e3 s33 è ezz ø
• Similarly, stresses applied perpendicular to z give
rise to different moduli and Poisson’s ratios.
 s1 1 -s -s
E1 = = , n 21 = 12 , n 31 = 13
e1 s11 s11 s11
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72

Relationships, contd.
• Similarly the torsional modulus is related to
shears involving the z axis, i.e. yz or xz shears:
s44 = s55 = 1/G

• Shear in the x-y plane (1-2 plane) is related to the


other compliance coefficients:
s66 = 2(s11-s12) = 1/Gxy

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73

Plates: Orthotropic Symmetry


• Again, we use the same matrix notation for stress, strain,
stiffness and compliance as for single crystals.
• The compliance matrix, s, has 9 independent coefficients.
• This corresponds to othorhombic sample symmetry: see
the following slide with Table from Nye’s book.

é s11 s12 s13 0 0 0ù


ê ú
ê s12 s22 s23 0 0 0ú
ê s13 s23 s33 0 0 0ú
ê ú
ê0 0 0 s44 0 0ú
ê0 0 0 0 s55 0ú
ê ú
ë0 0 0 0 0 s66 û
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74

Plates: 0° and 90° plies


• If the composite is a laminate composite with fibers laid in at 0° and
90° in equal thicknesses then the symmetry is higher because the x
and y directions are equivalent.
• The compliance matrix, s, has 6 independent coefficients.
• This corresponds to (tetragonal) 4mm sample symmetry: see the
following slide with Table from Nye’s book.

é s11 s12 s13 0 0 0ù


ê ú
ê s12 s11 s13 0 0 0ú
ê s13 s13 s33 0 0 0ú
ê ú
ê0 0 0 s44 0 0ú
ê0 0 0 0 s44 0ú
ê ú
ë0 0 0 0 0 s66 û
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75
Effect of Symmetry on the
Elasticity Tensors, S, C

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76

General Anisotropic Properties

• Many different properties of crystals can be


described as tensors.
• The rank of each tensor property depends,
naturally, on the nature of the quantities related
by the property.

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77

Examples of Materials Properties as


Tensors
• Table 1 shows a series of tensors that are of importance for material
science. The tensors are grouped by rank, and are also labeled (in the
last column) by E (equilibrium property) or T (transport property). The
number following this leter indicates the maximum number of
independent, nonzero elements in the tensor, taking into account
symmetries imposed by thermodynamics.
• The Field and Response columns contain the following symbols: ∆T =
temperature difference, ∆S = entropy change, Ei = electric field
components, Hi = magnetic field components, eij = mechanical strain,
Di = electric displacement, Bi = magnetic induction, sij = mechanical
stress, ∆bij = change of the impermeability tensor, ji = electrical
current density, jT = temperature gradient, hi = heat flux, jc =
concentration gradient, mi = mass flux, rai = anti-symmetric part of
resistivity tensor, rsi = symmetric part of resistivity tensor, ∆rij =
change in the component ij of the resistivity tensor, li = direction
cosines of wave Please
direction in crystal, G = gyration constant,
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78

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79

Courtesy of Prof. M. De Graef


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80

Principal Effects Courtesy of Prof. M. De Graef

Electrocaloric = pyroelectric
Magnetocaloric = pyromagnetic
Thermal expansion = piezocaloric
Magnetoelectric and converse magnetoelectric
Piezoelectric and converse piezoelectric
Piezomagnetic and converse piezomagnetic
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81

Principal Effects
Courtesy of Prof. M. De Graef

1st rank cross effects

2nd rank cross effects

3rd rank cross effects


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82

General crystal symmetry shown above.

Courtesy of Prof. M. De Graef

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83

Point group 4

Courtesy of Prof. M. De Graef

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84

Point group m3m


Note how many fewer independent coefficients there are!
Note how the center of symmetry eliminates many of the
properties, such as pyroelectricity
Courtesy of Prof. M. De Graef
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85

Homogeneity
• Stimuli and responses of interest are, in general, not scalar quantities but
tensors. Furthermore, some of the properties of interest, such as the
plastic properties of a material, are far from linear at the scale of a
polycrystal. Nonetheless, they can be treated as linear at a suitably local
scale and then an averaging technique can be used to obtain the response
of the polycrystal. The local or microscopic response is generally well
understood but the validity of the averaging techniques is still controversial
in many cases. Also, we will only discuss cases where a homogeneous
response can be reasonably expected.
• There are many problems in which a non-homogeneous response to a
homogeneous stimulus is of critical importance. Stress-corrosion cracking,
for example, is a wildly non-linear, non-homogeneous response to an
approximately uniform stimulus which depends on the mechanical and
electro-chemical properties of the material.

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86

Use of MuPAD inside Matlab


• Note that the 6x6 transformation matrix can be
programmed inside Matlab just as a 3x3 can.
• In order to apply a transformation (e.g. a
symmetry operator) to a 6x6 stiffness or
compliance matrix, the formula is the same as
before, i.e.:
C’= O C OT

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87
Matrix
representation of
the
rotation point ­

groups
What is a group?  A group is a set of 
objects that form a closed set: if you 
combine any two of them together, the 
result is simply a different member of that 
same group of objects.  Rotations in a 
given point group form closed sets ­ try it 
for yourself!

Note: the 3rd matrix in the 1st 
column (x­diad) is missing a “­” on 
the 33 element; this is corrected in 
this slide.  Also, in the 2nd from the 
Kocks, Tomé & Wenk:
bottom, last column: the 33 element 
should be +1, not ­1. In some 
 Ch. 1 Table II
versions of the book, in the last 
matrix (bottom right corner) the 33 
element is incorrectly given as ­1; 
here the +1 is correct. 
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